✦ LIBER ✦

Application of Predictive QSAR Models to Database Mining: Identification and Experimental Validation of Novel Anticonvulsant Compounds

✍ Scribed by Shen, Min; Béguin, Cécile; Golbraikh, Alexander; Stables, James P.; Kohn, Harold; Tropsha, Alexander

Book ID: 120364954
Publisher: American Chemical Society
Year: 2004
Tongue: English
Weight: 250 KB
Volume: 47
Category: Article
ISSN: 0022-2623
DOI: 10.1021/jm030584q

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A Novel Automated Lazy Learning QSAR (AL

A Novel Automated Lazy Learning QSAR (ALL-QSAR) Approach: Method Development, Applications, and Virtual Screening of Chemical Databases Using Validated ALL-QSAR Models

✍ Zhang, Shuxing; Golbraikh, Alexander; Oloff, Scott; Kohn, Harold; Tropsha, Alexa 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 350 KB

Prospective Validation of a Comprehensiv

Prospective Validation of a Comprehensive In silico hERG Model and its Applications to Commercial Compound and Drug Databases

✍ Munikumar R. Doddareddy; Elisabeth C. Klaasse; Shagufta; Adriaan P. IJzerman; An 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 666 KB

Ligand-based in silico hERG models were generated for 2 644 compounds using linear discriminant analysis (LDA) and support vector machines (SVM). As a result, the dataset used for the model generation is the largest publicly available (see Supporting Information). Extended connectivity fingerprints

Predicting physical properties of emergi

Predicting physical properties of emerging compounds with limited physical and chemical data: QSAR model uncertainty and applicability to military munitions

✍ Erin R. Bennett; Jay Clausen; Eugene Linkov; Igor Linkov 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 476 KB

2D QSAR Consensus Prediction for High-Th

2D QSAR Consensus Prediction for High-Throughput Virtual Screening. An Application to COX-2 Inhibition Modeling and Screening of the NCI Database.

✍ Nicolas Baurin; Jean-Christophe Mozziconacci; Eric Arnoult; Philippe Chavatte; C 📂 Article 📅 2004 🏛 John Wiley and Sons ⚖ 54 KB 👁 2 views

2D QSAR Consensus Prediction for High-Th

2D QSAR Consensus Prediction for High-Throughput Virtual Screening. An Application to COX-2 Inhibition Modeling and Screening of the NCI Database

✍ Baurin, N.; Mozziconacci, J.-C.; Arnoult, E.; Chavatte, P.; Marot, C.; Morin-All 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 141 KB